3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0167 |
| Compound Name: | 3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.477 |
| logD: | 5.4761 |
| logSw: | -5.3881 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.226 |
| InChI Key: | WLZDVUJYAIGXOZ-UHFFFAOYSA-N |